CID 84534

14580-22-4

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC1=NN(C(=O)C1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H9ClN2O/c1-7-6-10(14)13(12-7)9-5-3-2-4-8(9)11/h2-5H,6H2,1H3
InChIKey
CWESERWNUIUBJU-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-5-methyl-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

924
Patents

208.04034 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 142.1
[M+Na]+ 231.02956 157.0
[M+NH4]+ 226.07416 150.8
[M+K]+ 247.00350 151.3
[M-H]- 207.03306 144.9
[M+Na-2H]- 229.01501 150.0
[M]+ 208.03979 145.3
[M]- 208.04089 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.